Geometry & MOs

Info

ID:	57467
PubChem CID:	22395994
Reduced:	N3O6C27H31 (1)
Stoich.:	A3B6C27D31 (1)
Weight, g/mol:	542.104513
ΔH_f, kcal/mol:	-208.86
Dipole, Da:	1.21
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CC1(CCCN1C(=O)OC(C)(C)C)C(=O)NC(CC2=CC=C(C=C2)OC3=CC=CC=C3C#N)C(=O)O

DOS

IR

Vibrations